Geometry & MOs

Info

ID:

185707

PubChem CID:

77336002

Reduced:

O3N4C24H28 (2)

Stoich.:

A3B4C24D28 (2)

Weight, g/mol:

654.216474

ΔHf, kcal/mol:

-135.83

Dipole, Da:

5.03

IP(EA), eV:

 -8.92(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[[2-hydroxy-3-[3-(methanesulfonamido)-4-phenylmethoxyphenoxy]propyl]amino]propyl]phenyl]-(phenoxymethyl)phosphinic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CC(CN6C(=O)C(C7=CC=CC=C7)NC(=O)C8CC8)COC)NC(=O)OC

DOS

IR

Vibrations